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arxiv: 1306.1902 · v1 · submitted 2013-06-08 · ❄️ cond-mat.mtrl-sci · astro-ph.EP· physics.plasm-ph

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Wide range equation of state for fluid hydrogen within density functional theory

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classification ❄️ cond-mat.mtrl-sci astro-ph.EPphysics.plasm-ph
keywords simulationsdynamicshydrogenmolecularrangetimes10densityequation
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Wide range equation of state (EOS) for liquid hydrogen is ultimately built by combining two kinds of density functional theory (DFT) molecular dynamics simulations, namely, first-principles molecular dynamics simulations and orbital-free molecular dynamics simulations. Specially, the present introduction of short cutoff radius pseudopotentials enables the hydrogen EOS to be available in the range $9.82\times10^{-4}$ to $1.347\times10^{3}$ g/cm$^{3}$ and up to $5\times10^{7}$ K. By comprehensively comparing with various attainable experimental and theoretical data, we derive the conclusion that our DFT-EOS can be readily and reliably conducted to hydrodynamic simulations of the inertial confinement fusion.

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